3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one

C22H25FN2O3 — CID 48855688

IUPAC3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c1-16(15-17-7-9-18(23)10-8-17)21(26)24-11-13-25(14-12-24)22(27)19-5-3-4-6-20(19)28-2/h3-10,16H,11-15H2,1-2H3
InChIKeyIHMQZZTVKNFLNB-UHFFFAOYSA-N
MW384.45 g/mol
LogP3.00
Rot. Bonds5

About 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one

3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one (PubChem CID 48855688) has the molecular formula C22H25FN2O3 and a molecular weight of 384.45 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
PubChem CID48855688
Molecular FormulaC22H25FN2O3
Molecular Weight384.45 g/mol
Exact Mass384.18
IUPAC Name3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one
SMILESCOc1ccccc1C(=O)N1CCN(C(=O)C(C)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN2O3/c1-16(15-17-7-9-18(23)10-8-17)21(26)24-11-13-25(14-12-24)22(27)19-5-3-4-6-20(19)28-2/h3-10,16H,11-15H2,1-2H3
InChIKeyIHMQZZTVKNFLNB-UHFFFAOYSA-N
XLogP3.00
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-(4-fluorophenyl)-2-methylpropan-1-one
CID 167757594
2,2-dichloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]ethanone
CID 108567688
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
(4-ethylphenyl)-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 32770368
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 11853787
[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 3281463
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
5-[(4-fluorophenyl)methyl]-5-[3-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45181644
[(5R)-3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]-[4-(2-methoxybenzoyl)piperazin-1-yl]methanone
CID 42189037
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747
(2-methoxyphenyl)-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone
CID 4743493

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one (CID 48855688) is 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one is COc1ccccc1C(=O)N1CCN(C(=O)C(C)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
The InChIKey is IHMQZZTVKNFLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3/c1-16(15-17-7-9-18(23)10-8-17)21(26)24-11-13-25(14-12-24)22(27)19-5-3-4-6-20(19)28-2/h3-10,16H,11-15H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one?
3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one has a molecular weight of 384.45 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 48855688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).